2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine

C13H21N5 — CID 72928676

IUPAC2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C13H21N5/c1-8-5-12(15-2)17-13(16-8)18-6-10(9-3-4-9)11(14)7-18/h5,9-11H,3-4,6-7,14H2,1-2H3,(H,15,16,17)/t10-,11+/m1/s1
InChIKeyUCYWJGHIUALCCO-MNOVXSKESA-N
MW247.35 g/mol
LogP1.00
Rot. Bonds3

About 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine

2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 72928676) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID72928676
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2C[C@H](C3CC3)[C@@H](N)C2)n1
InChIInChI=1S/C13H21N5/c1-8-5-12(15-2)17-13(16-8)18-6-10(9-3-4-9)11(14)7-18/h5,9-11H,3-4,6-7,14H2,1-2H3,(H,15,16,17)/t10-,11+/m1/s1
InChIKeyUCYWJGHIUALCCO-MNOVXSKESA-N
XLogP1.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine (CID 72928676) is 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(N2C[C@H](C3CC3)[C@@H](N)C2)n1.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is UCYWJGHIUALCCO-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21N5/c1-8-5-12(15-2)17-13(16-8)18-6-10(9-3-4-9)11(14)7-18/h5,9-11H,3-4,6-7,14H2,1-2H3,(H,15,16,17)/t10-,11+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine?
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 72928676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).